4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide

C20H17N3OS — CID 3860168

IUPAC4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccnc(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1
InChIInChI=1S/C20H17N3OS/c1-14-7-9-21-19(11-14)22-20(24)17-12-18-16(8-10-25-18)23(17)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,22,24)
InChIKeyMIXCLWORADKHRM-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.71
Rot. Bonds4

About 4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide

4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3860168) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3860168
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCc1ccnc(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1
InChIInChI=1S/C20H17N3OS/c1-14-7-9-21-19(11-14)22-20(24)17-12-18-16(8-10-25-18)23(17)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,22,24)
InChIKeyMIXCLWORADKHRM-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 3860168) is 4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide is Cc1ccnc(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1.
What is the InChIKey of 4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is MIXCLWORADKHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-14-7-9-21-19(11-14)22-20(24)17-12-18-16(8-10-25-18)23(17)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,22,24).
What are the key properties of 4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3860168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).